(2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
Grundinformationen
- Standard-SMILES
CC1=C2CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)[C@@H](O)[C@]5(C)CC[C@]34C)[C@H]2C[C@H](O)C1=O- InChIKey
UUGCGHAFZPEHIC-MMGFMYNLSA-N- Summenformel
- C28H42O4
- Durchschnittliche Molmasse
- 442,6 g/mol
- Monoisotopische Masse
- 442,30830982
Überblick
(2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione has been reported in Tripterygium doianum with data available.
Namen und Bezeichner
- Bevorzugter Name
- (2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
- IUPAC
- (2R,4S,4aR,6aS,6aR,6bS,11S,12aR,14aS,14bS)-4,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-1,2,4,5,6,6b,7,8,11,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 905
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